tri(cyclopenta-1,3-dien-1-yl)-methoxysilane

C16H18OSi — CID 18430511

IUPACtri(cyclopenta-1,3-dien-1-yl)-methoxysilane
SMILESCO[Si](C1=CC=CC1)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C16H18OSi/c1-17-18(14-8-2-3-9-14,15-10-4-5-11-15)16-12-6-7-13-16/h2-8,10,12H,9,11,13H2,1H3
InChIKeyOIOURGGZEXWEGY-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.85
Rot. Bonds4

About tri(cyclopenta-1,3-dien-1-yl)-methoxysilane

tri(cyclopenta-1,3-dien-1-yl)-methoxysilane (PubChem CID 18430511) has the molecular formula C16H18OSi and a molecular weight of 254.41 g/mol. Its IUPAC name is tri(cyclopenta-1,3-dien-1-yl)-methoxysilane.

Molecular Properties

Compound Nametri(cyclopenta-1,3-dien-1-yl)-methoxysilane
PubChem CID18430511
Molecular FormulaC16H18OSi
Molecular Weight254.41 g/mol
Exact Mass254.11
IUPAC Nametri(cyclopenta-1,3-dien-1-yl)-methoxysilane
SMILESCO[Si](C1=CC=CC1)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C16H18OSi/c1-17-18(14-8-2-3-9-14,15-10-4-5-11-15)16-12-6-7-13-16/h2-8,10,12H,9,11,13H2,1H3
InChIKeyOIOURGGZEXWEGY-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tri(cyclopenta-1,3-dien-1-yl)-methoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tri(cyclopenta-1,3-dien-1-yl)-methoxysilane?
The IUPAC name of tri(cyclopenta-1,3-dien-1-yl)-methoxysilane (CID 18430511) is tri(cyclopenta-1,3-dien-1-yl)-methoxysilane.
What is the SMILES notation for tri(cyclopenta-1,3-dien-1-yl)-methoxysilane?
The canonical SMILES for tri(cyclopenta-1,3-dien-1-yl)-methoxysilane is CO[Si](C1=CC=CC1)(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of tri(cyclopenta-1,3-dien-1-yl)-methoxysilane?
The InChIKey is OIOURGGZEXWEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OSi/c1-17-18(14-8-2-3-9-14,15-10-4-5-11-15)16-12-6-7-13-16/h2-8,10,12H,9,11,13H2,1H3.
What are the key properties of tri(cyclopenta-1,3-dien-1-yl)-methoxysilane?
tri(cyclopenta-1,3-dien-1-yl)-methoxysilane has a molecular weight of 254.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(cyclopenta-1,3-dien-1-yl)-methoxysilane is sourced from PubChem (CID 18430511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).